Crystallography Open Database

Information card for entry 7158729

Preview

Coordinates	7158729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 S7 Si
Calculated formula	C19 H12 S7 Si
Title of publication	Synthesis and Crystal Structures of Unsymmetrical Wave-shaped Heptathienoacenes
Authors of publication	Wu, Zhiping; Xu, Wan; Li, Chunli; Ma, Zhiying; Wang, Guangxia; Wang, Hua
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2022
a	7.0326 ± 0.0003 Å
b	30.5918 ± 0.0013 Å
c	10.368 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2230.57 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	4
Space group number	46
Hermann-Mauguin space group symbol	I m a 2
Hall space group symbol	I 2 -2a
Residual factor for all reflections	0.0237
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7158729.html